6-deuteriohex-1-ene

C6H12 — CID 134979988

IUPAC6-deuteriohex-1-ene
SMILES[2H]CCCCC=C
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3/i2D
InChIKeyLIKMAJRDDDTEIG-VMNATFBRSA-N
MW85.17 g/mol
LogP2.36
Rot. Bonds4

About 6-deuteriohex-1-ene

6-deuteriohex-1-ene (PubChem CID 134979988) has the molecular formula C6H12 and a molecular weight of 85.17 g/mol. Its IUPAC name is 6-deuteriohex-1-ene.

Molecular Properties

Compound Name6-deuteriohex-1-ene
PubChem CID134979988
Molecular FormulaC6H12
Molecular Weight85.17 g/mol
Exact Mass85.10
IUPAC Name6-deuteriohex-1-ene
SMILES[2H]CCCCC=C
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3/i2D
InChIKeyLIKMAJRDDDTEIG-VMNATFBRSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.17
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

hex-1-ene;zinc
CID 174554611
3,7-dideuteriohept-1-ene
CID 152644056
hex-1-ene;zirconium(4+);dichloride
CID 157382882
but-1-ene;tetrakis(hex-1-ene)
CID 22000755
but-1-ene;hexakis(hex-1-ene)
CID 161273113
(Z)-dec-5-ene;hex-1-ene
CID 141304086
bismuthane;oct-1-ene;sulfane
CID 174601016
benzene;buta-1,3-diene;hex-1-ene
CID 159461110
ethanamine;hex-1-ene;hydrochloride
CID 160582702
but-1-ene;hex-1-ene;prop-1-ene
CID 86759030
hex-1-ene;oct-1-ene;pent-1-ene
CID 174703469
but-1-ene;hex-1-ene;bis(oct-1-ene)
CID 161126076

Frequently Asked Questions

What is the IUPAC name of 6-deuteriohex-1-ene?
The IUPAC name of 6-deuteriohex-1-ene (CID 134979988) is 6-deuteriohex-1-ene.
What is the SMILES notation for 6-deuteriohex-1-ene?
The canonical SMILES for 6-deuteriohex-1-ene is [2H]CCCCC=C.
What is the InChIKey of 6-deuteriohex-1-ene?
The InChIKey is LIKMAJRDDDTEIG-VMNATFBRSA-N. The full InChI is InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3/i2D.
What are the key properties of 6-deuteriohex-1-ene?
6-deuteriohex-1-ene has a molecular weight of 85.17 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuteriohex-1-ene is sourced from PubChem (CID 134979988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).